Compound Identification
SMILES
O=C1NC2=C(C=C(C=C2)C2=CC=CO2)C(=O)N2CC(CC12)NS(=O)(=O)C1=CC=CS1
InChIKey
InChIKey=IVXUYWVZNQPIKF-UHFFFAOYSA-N
Formula
C20H17N3O5S2
Mass
443.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Organosulfonamides Benzenoids Vinylogous amides Thiophenes Tertiary carboxylic acid amides Pyrrolidines Aminosulfonyl compounds Heteroaromatic compounds Furans Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Organosulfonic acid amide - Benzenoid - Furan - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Thiophene - Aminosulfonyl compound - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Oxacycle - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available